Vitas-M small molecule compound

ethyl 2-{[(2E)-3-(1-benzyl-1H-indol-3-yl)-2-cyanoprop-2-enoyl]amino}-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Catalog ID
STL021010
SMILES CCOC(=O)c1c(NC(=O)/C(=C/c2cn(c3c2cccc3)Cc2ccccc2)/C#N)sc2c1CCC(C2)C

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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.

We do not supply quantities above 5 g.

Structure and other identifiers

2D representation rendered from the SMILES, with core physicochemical data.
Formula C31H29N3O3S MW 523.66 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H29N3O3S/c1-3-37-31(36)28-25-14-13-20(2)15-27(25)38-30(28)33-29(35)22(17-32)16-23-19-34(18-21-9-5-4-6-10-21)26-12-8-7-11-24(23)26/h4-12,16,19-20H,3,13-15,18H2,1-2H3,(H,33,35)/b22-16+
InChIKey
PMCXHERXOMABNB-CJLVFECKSA-N
Synonyms
488129-68-6
(E)ethyl2(3(1benzyl1Hindol3yl)2cyanoacrylamido)6methyl4567tetrahydrobenzo(b)thiophene3carboxylate
488129686
CCOC(=O)C1=C(SC2=C1CCC(C2)C)NC(=O)C(=CC3=CN(C4=CC=CC=C43)CC5=CC=CC=C5)C#N
CCOC(=O)c1c(NC(=O)C(=Cc2cn(c3c2cccc3)Cc2ccccc2)C#N)sc2c1CCC(C2)C
ethyl2(((2E)3(1benzyl1Hindol3yl)2cyanoprop2enoyl)amino)6methyl4567tetrahydro1benzothiophene3carboxylate
ethyl2(((E)3(1benzylindol3yl)2cyanoprop2enoyl)amino)6methyl4567tetrahydro1benzothiophene3carboxylate
InChI=1SC31H29N3O3Sc133731(36)2825141320(2)1527(25)3830(28)3329(35)22(1732)16231934(182195461021)2612871124(23)26h412161920H3131518H212H3(H3335)b2216+
MFCD03289710
ZINC000001895785
ZINC000001895788

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Available files

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